SCHEMBL17665017

SCHEMBL17665017

CO[C@H]1CCCN(C(=O)CO)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
VNN1 O95497 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17665068 1.00 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL6043872 0.89 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMAPTVNN1
SCHEMBL12522300 0.89 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMAPTVNN1
SCHEMBL12522213 0.89 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMAPTVNN1
SCHEMBL17642613 0.86 ALDH1A1 (0.44) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL13103717 0.86 MEN1 (0.44) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL14311852 0.85 ALDH1A1 (0.42) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL14311893 0.85 ALDH1A1 (0.42) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL31463741 0.83 ALDH1A1 (0.41) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL11892708 0.83 MEN1 (0.53) ALDH1A1LMNAKMT2AMEN1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885LMNA 2240/4885KMT2A 1865/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.